5-(4-Chlorophenyl)-1-Phenyl-6-(4-Pyrazin-2-Ylphenyl)-3H-Pyrazolo[3,4-D]Pyrimidine-2,3,3A,6,7,7A-Hexaid-4-One
Properties
Property | Value |
---|---|
Formula | C27H17ClN6O |
IUPAC Name | 5-(4-chlorophenyl)-1-phenyl-6-(4-pyrazin-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-one |
Molecular Mass | 476.916 g·mol−1 |
Heat of Formation | 618.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.09 ± 1.08 D |
Volume | 527.72 Å 3 |
Surface Area | 444.25 Å 2 |
HOMO Energy | -9.09 ± 0.55 eV |
LUMO Energy | 0.58 ± eV |
Point Group Symmetry | C1 |
InChIKey | NEFOOJZAPHPRBP-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O Cl |